TY - CHAP
T1 - Watson-Crick hydrogen bonds
T2 - Nature and role in DNA replication
AU - Guerra, Célia Fonseca
AU - Bickelhaupt, F. Matthias
PY - 2006
Y1 - 2006
N2 - The hydrogen bonds in DNA Watson–Crick base pairs have long been considered predominantly electrostatic phenomena. In this chapter, we show with state-of-the-art calculations that this is not true and that electrostatic interactions and covalent contributions in these hydrogen bonds are in fact of the same order of magnitude. We discuss the steric and electronic effects of the backbone and the influence of the molecular environment on hydrogen bonding in Watson–Crick pairs. Furthermore, we address the question of how far these hydrogen bonds can be considered resonance-assisted hydrogen bonds (RAHB). Finally, the implications of our findings for our understanding of the highly accurate process of DNA replication are discussed.
AB - The hydrogen bonds in DNA Watson–Crick base pairs have long been considered predominantly electrostatic phenomena. In this chapter, we show with state-of-the-art calculations that this is not true and that electrostatic interactions and covalent contributions in these hydrogen bonds are in fact of the same order of magnitude. We discuss the steric and electronic effects of the backbone and the influence of the molecular environment on hydrogen bonding in Watson–Crick pairs. Furthermore, we address the question of how far these hydrogen bonds can be considered resonance-assisted hydrogen bonds (RAHB). Finally, the implications of our findings for our understanding of the highly accurate process of DNA replication are discussed.
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U2 - 10.1016/B978-044452220-7/50068-X
DO - 10.1016/B978-044452220-7/50068-X
M3 - Chapter
AN - SCOPUS:84882889454
SN - 9780444522207
SP - 79
EP - 97
BT - Modern Methods for Theoretical Physical Chemistry of Biopolymers
PB - Elsevier
ER -